2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol

C10H11ClFNO — CID 66518687

IUPAC2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c(F)cc([C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C10H11ClFNO/c11-7-4-6(5-8(12)10(7)14)9-2-1-3-13-9/h4-5,9,13-14H,1-3H2/t9-/m0/s1
InChIKeyOHHXXXGOCWTPFF-VIFPVBQESA-N
MW215.65 g/mol
LogP2.61
Rot. Bonds1

About 2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol

2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 66518687) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is 2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID66518687
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Name2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c(F)cc([C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C10H11ClFNO/c11-7-4-6(5-8(12)10(7)14)9-2-1-3-13-9/h4-5,9,13-14H,1-3H2/t9-/m0/s1
InChIKeyOHHXXXGOCWTPFF-VIFPVBQESA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol (CID 66518687) is 2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol is Oc1c(F)cc([C@@H]2CCCN2)cc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is OHHXXXGOCWTPFF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-7-4-6(5-8(12)10(7)14)9-2-1-3-13-9/h4-5,9,13-14H,1-3H2/t9-/m0/s1.
What are the key properties of 2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol?
2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol has a molecular weight of 215.65 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-4-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66518687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).